2-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-3-carboxamide

C25H27N3O2 — CID 155945168

IUPAC2-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-3-carboxamide
SMILESCc1nc2ccccc2cc1C(=O)NC1CC2(CCN(C)CC2)Oc2ccccc21
InChIInChI=1S/C25H27N3O2/c1-17-20(15-18-7-3-5-9-21(18)26-17)24(29)27-22-16-25(11-13-28(2)14-12-25)30-23-10-6-4-8-19(22)23/h3-10,15,22H,11-14,16H2,1-2H3,(H,27,29)
InChIKeyVMVGRULMWSYAKN-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.26
Rot. Bonds2

About 2-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-3-carboxamide

2-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-3-carboxamide (PubChem CID 155945168) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-3-carboxamide
PubChem CID155945168
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name2-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-3-carboxamide
SMILESCc1nc2ccccc2cc1C(=O)NC1CC2(CCN(C)CC2)Oc2ccccc21
InChIInChI=1S/C25H27N3O2/c1-17-20(15-18-7-3-5-9-21(18)26-17)24(29)27-22-16-25(11-13-28(2)14-12-25)30-23-10-6-4-8-19(22)23/h3-10,15,22H,11-14,16H2,1-2H3,(H,27,29)
InChIKeyVMVGRULMWSYAKN-UHFFFAOYSA-N
XLogP4.26
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-4-carboxamide
CID 155948335
1-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-5-phenylpyrazole-4-carboxamide
CID 155946672
2,5,7-trimethyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 112841011
5-methyl-N-[(4S)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]furan-2-carboxamide
CID 51546641
2-amino-4-methyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyrimidine-5-carboxamide
CID 99934057
6-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinazoline-4-carboxamide
CID 166381221
3-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 155945166
3-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 42916523
3,3,3-trifluoro-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)propanamide
CID 131643090
3,5-dimethyl-N-(1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-1,2-oxazole-4-carboxamide
CID 110212861
1,6-dimethyl-4-oxo-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpyridine-3-carboxamide
CID 118780791
4-(2-acetamidoethyl)-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)benzamide
CID 47014219

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-3-carboxamide?
The IUPAC name of 2-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-3-carboxamide (CID 155945168) is 2-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-3-carboxamide?
The canonical SMILES for 2-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-3-carboxamide is Cc1nc2ccccc2cc1C(=O)NC1CC2(CCN(C)CC2)Oc2ccccc21.
What is the InChIKey of 2-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-3-carboxamide?
The InChIKey is VMVGRULMWSYAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-17-20(15-18-7-3-5-9-21(18)26-17)24(29)27-22-16-25(11-13-28(2)14-12-25)30-23-10-6-4-8-19(22)23/h3-10,15,22H,11-14,16H2,1-2H3,(H,27,29).
What are the key properties of 2-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-3-carboxamide?
2-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-3-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl)quinoline-3-carboxamide is sourced from PubChem (CID 155945168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).